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Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1cc(O)c(O)cc1I)NC=O- InChIKey
CNADBLZHMZGPNX-VIFPVBQESA-N- Molecular formula
- C12H14INO5
- Average molar mass
- 379.15 g/mol
- Monoisotopic mass
- 378.99167
Names & identifiers
- Preferred name
- N-formyl-3,4-dihydroxy-6-iodo-L-phenylalanine ethyl ester
- IUPAC
- ethyl (2S)-3-(4,5-dihydroxy-2-iodophenyl)-2-formamidopropanoate
Names & synonyms
SCHEMBL8932190CNADBLZHMZGPNX-VIFPVBQESA-NN-formyl-3,4-dihydroxy-6-iodo-L-phenylalanine ethyl ester
Database identifiers
- PubChem CID
- 10937745
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
6 records
Compound notes
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